%chk=000209512.chk
%nprocshared=4
%mem=7GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000209512

0 1
O -2.118267 -0.955114 1.606180
N -0.630546 -1.203385 -1.752003
C 1.840238 -0.764368 -0.074378
C 0.424469 -0.350540 0.387443
C -0.692842 -1.220309 -0.255876
C 2.949687 0.030320 0.652924
C 2.165521 -2.247611 0.214921
C -2.095823 -0.710240 0.174136
C 4.185199 -0.885971 0.680166
C 3.692041 -2.320718 0.403579
C -3.225244 -1.543221 -0.450294
C 0.229851 1.138819 0.189435
C -3.071011 -1.580719 -1.972444
C -1.672552 -2.082364 -2.368438
C 0.166991 1.968962 1.322213
C 0.127802 1.716078 -1.084892
C -2.817444 0.043863 2.367832
C 0.008606 3.349698 1.180409
C -0.031990 3.097288 -1.223032
C -0.090502 3.918615 -0.092812
H 1.935267 -0.576353 -1.169818
H 0.341625 -0.567762 1.490687
H -0.576853 -2.261363 0.152675
H 2.638676 0.291739 1.679378
H 3.154640 0.985316 0.143190
H 1.826524 -2.906342 -0.598082
H 1.652133 -2.589755 1.131184
H -2.215871 0.370394 -0.045676
H 4.701724 -0.822266 1.651654
H 4.919824 -0.574769 -0.081645
H 4.178553 -2.730506 -0.497468
H 3.953940 -2.998503 1.232294
H -4.206355 -1.122121 -0.166802
H -3.207672 -2.565222 -0.024201
H 0.300451 -1.513814 -2.056485
H -3.845112 -2.227896 -2.422750
H -3.228240 -0.565279 -2.390142
H -1.561295 -3.151872 -2.087156
H -1.547078 -2.019074 -3.471407
H 0.244995 1.535981 2.317719
H 0.154130 1.082055 -1.973083
H -2.703163 -0.312216 3.398487
H -3.872957 0.073444 2.084244
H -2.344638 1.023569 2.239199
H -0.035610 3.983448 2.063663
H -0.112104 3.534272 -2.216648
H -0.212420 4.993011 -0.203579


%chk=000209512-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000209512

0 1
O -2.141260 -0.727565 1.680712
N -0.601614 -1.254610 -1.668087
C 1.868886 -0.761243 -0.007862
C 0.447600 -0.308202 0.443316
C -0.680711 -1.190991 -0.185096
C 3.021554 -0.082912 0.781801
C 2.173231 -2.269889 0.208282
C -2.092729 -0.694142 0.206107
C 4.273922 -0.961227 0.497029
C 3.722930 -2.380451 0.117131
C -3.193137 -1.582505 -0.414090
C 0.252671 1.197892 0.248096
C -3.015384 -1.686127 -1.947304
C -1.591337 -2.175069 -2.275955
C 0.171056 2.050162 1.379585
C 0.172619 1.788569 -1.042594
C -3.178897 0.132518 2.245682
C 0.026633 3.449149 1.236044
C 0.026556 3.186239 -1.190825
C -0.043048 4.024841 -0.053455
H 2.011234 -0.512221 -1.083113
H 0.378844 -0.509298 1.530518
H -0.573305 -2.211912 0.265662
H 2.773895 -0.104167 1.862804
H 3.165666 0.974499 0.501105
H 1.662598 -2.933709 -0.514171
H 1.826455 -2.562334 1.220084
H -2.209055 0.353066 -0.148649
H 4.949245 -0.999447 1.370620
H 4.858506 -0.539368 -0.341425
H 4.030309 -2.648970 -0.910892
H 4.112435 -3.170575 0.784155
H -4.195823 -1.183452 -0.168890
H -3.119407 -2.590498 0.042041
H 0.355847 -1.470973 -1.975722
H -3.762413 -2.382307 -2.373896
H -3.169745 -0.695108 -2.415973
H -1.481756 -3.224758 -1.898135
H -1.431754 -2.192635 -3.369941
H 0.216845 1.607878 2.382638
H 0.188844 1.139165 -1.923772
H -3.060346 0.075983 3.340059
H -4.200008 -0.208856 1.976173
H -3.050223 1.184499 1.913979
H -0.029998 4.086670 2.126254
H -0.036971 3.622317 -2.195003
H -0.152163 5.109275 -0.170528


